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{
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"id": "mp-1017457",
"created_at": "2022-09-04T14:42:18.685746Z",
"structure_string": "Ba2 Ce2 Mg12\n1.0\n5.402069 0.000000 0.000000\n0.000000 7.051890 0.000000\n0.000000 0.000000 11.994410\nBa Ce Mg\n2 2 12\ndirect\n0.500000 0.500000 0.834478 Ba\n0.500000 0.000000 0.334478 Ba\n0.500000 0.500000 0.339086 Ce\n0.500000 0.000000 0.839086 Ce\n0.500000 0.253139 0.082447 Mg\n0.500000 0.746861 0.082447 Mg\n0.000000 0.234450 0.926979 Mg\n0.000000 0.765550 0.926979 Mg\n0.000000 0.500000 0.160497 Mg\n0.000000 0.500000 0.647091 Mg\n0.500000 0.753139 0.582447 Mg\n0.500000 0.246861 0.582447 Mg\n0.000000 0.734450 0.426979 Mg\n0.000000 0.265550 0.426979 Mg\n0.000000 0.000000 0.660497 Mg\n0.000000 0.000000 0.147091 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"Mg"
],
"chemical_system": "Ba-Ce-Mg",
"density": 3.076487203673505,
"density_atomic": 0.035016717802955885,
"volume": 456.92460641326534,
"volume_molar": 17.19790185330177,
"formula_full": "Ba2 Ce2 Mg12",
"formula_reduced": "BaCeMg6",
"formula_anonymous": "ABC6",
"energy": -32.56795698,
"energy_per_atom": -2.03549731125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.56795698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4011247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.198000Z",
"spacegroup": 38
},
{
"id": "mp-1026813",
"created_at": "2022-09-04T14:46:59.193148Z",
"structure_string": "Ba1 Ce1 Mg14\n1.0\n6.833691 -0.000000 0.000000\n-3.416846 5.918153 -0.000000\n0.000000 -0.000000 10.601660\nBa Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Ce\n0.171551 0.835775 0.125000 Mg\n0.183690 0.841844 0.625000 Mg\n0.664225 0.328449 0.125000 Mg\n0.658156 0.316310 0.625000 Mg\n0.664225 0.835775 0.125000 Mg\n0.658156 0.841844 0.625000 Mg\n0.342454 0.157546 0.365547 Mg\n0.342454 0.157546 0.884453 Mg\n0.342454 0.684908 0.365547 Mg\n0.342454 0.684908 0.884453 Mg\n0.815092 0.157546 0.365547 Mg\n0.815092 0.157546 0.884453 Mg\n0.833333 0.666667 0.374025 Mg\n0.833333 0.666667 0.875975 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"Mg"
],
"chemical_system": "Ba-Ce-Mg",
"density": 2.392326443209055,
"density_atomic": 0.03731681629456736,
"volume": 428.76112135882573,
"volume_molar": 16.13787390773932,
"formula_full": "Ba1 Ce1 Mg14",
"formula_reduced": "BaCeMg14",
"formula_anonymous": "ABC14",
"energy": -28.8625274,
"energy_per_atom": -1.8039079625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.8625274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.143382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.005000Z",
"spacegroup": 187
}
]
}